Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-
TL;DR: Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- (CAS 4699-26-7) is a chemical compound with molecular formula C20H14S2 and molecular weight 318.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,12-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
Also Known As: Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-, 5-19-02-00222 (Beilstein Handbook Reference), 6,12-Dimethylbenzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-Dimethylbenzo[1,2-b:5,4-b ]bis[1]benzothiophene, 6,12-dimethyl-dibenzo[d,d']benzo[1,2-b,5,4-b']dithiophene
| Molecular Formula | C20H14S2 |
|---|---|
| Molecular Weight | 318.05 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 318.05368 |
| Heavy Atoms | 22 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 4699-26-7 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3SC2=C(C4=C1C5=CC=CC=C5S4)C |
| InChIKey | CYIDONDRRPRIHZ-UHFFFAOYSA-N |
Product Overview
Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- (CAS 4699-26-7), with molecular formula C20H14S2 and molecular weight 318.05 g/mol. IUPAC: 2,12-dimethyl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene.
Chemical Property Profile of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-
Property Insights of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-
The XLogP value of 7.4 indicates that Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.5 Ų, Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-?
The CAS number of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- is 4699-26-7.
What is the molecular formula of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-?
The molecular formula of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- is C20H14S2.
What is the molecular weight of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-?
The molecular weight of Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- is 318.05 g/mol.
Where can I buy Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-?
You can request a quote for Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(1,2-b:5,4-b')bis(1)benzothiophene, 6,12-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.